1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide

C14H24FIN4 — CID 111752415

IUPAC1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCN(C)Cc1ccc(F)cc1.I
InChIInChI=1S/C14H23FN4.HI/c1-3-8-17-14(16)18-9-10-19(2)11-12-4-6-13(15)7-5-12;/h4-7H,3,8-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyAROAWFBJTDRDHI-UHFFFAOYSA-N
MW394.28 g/mol
LogP2.19
Rot. Bonds7

About 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide (PubChem CID 111752415) has the molecular formula C14H24FIN4 and a molecular weight of 394.28 g/mol. Its IUPAC name is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide
PubChem CID111752415
Molecular FormulaC14H24FIN4
Molecular Weight394.28 g/mol
Exact Mass394.10
IUPAC Name1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide
SMILESCCC/N=C(\N)NCCN(C)Cc1ccc(F)cc1.I
InChIInChI=1S/C14H23FN4.HI/c1-3-8-17-14(16)18-9-10-19(2)11-12-4-6-13(15)7-5-12;/h4-7H,3,8-11H2,1-2H3,(H3,16,17,18);1H
InChIKeyAROAWFBJTDRDHI-UHFFFAOYSA-N
XLogP2.19
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-(3-methylbutyl)guanidine
CID 111752434
2-(cyclobutylmethyl)-1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]guanidine
CID 111752418
1-[2-[benzyl(methyl)amino]ethyl]-2-(2-methylprop-2-enyl)guanidine
CID 111078755
2-amino-N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]acetamide;dihydrochloride
CID 119896383
2-[2-[benzyl(methyl)amino]ethyl]-1-(2-phenylethyl)guanidine
CID 111078707
3-[2-[ethyl(methyl)amino]ethyl]-1-[(4-fluorophenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111306512
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]piperidine-3-carboxamide
CID 119896338
1-[2-(4-fluorophenyl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025566
1-(3-ethoxypropyl)-3-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-methylguanidine;hydroiodide
CID 111968574
1-[2-(4-methylsulfonylphenyl)ethyl]-2-propylguanidine;hydroiodide
CID 111815183
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-3-(2-sulfamoylethyl)urea
CID 154749821
1-[3-(2-fluoro-N-methylanilino)propyl]-2-propylguanidine
CID 111077591

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide?
The IUPAC name of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide (CID 111752415) is 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide?
The canonical SMILES for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide is CCC/N=C(\N)NCCN(C)Cc1ccc(F)cc1.I.
What is the InChIKey of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide?
The InChIKey is AROAWFBJTDRDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN4.HI/c1-3-8-17-14(16)18-9-10-19(2)11-12-4-6-13(15)7-5-12;/h4-7H,3,8-11H2,1-2H3,(H3,16,17,18);1H.
What are the key properties of 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide?
1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide has a molecular weight of 394.28 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-2-propylguanidine;hydroiodide is sourced from PubChem (CID 111752415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).